On 8 April 2011 10:24, <psavita at crlindia.com> wrote: > Dear Prasenjit, > > Thank for your clarification. > Then I have more questions: > Are those the perpendicular components of the string force or the true > force? >
It is the total force....PE + spring > Do the values signify convergence? > > Yes, the default value is 0.05 eV/A. When the force on each image is less than the default value, the calculation is said to be converged. Prasenjit -- PRASENJIT GHOSH, Assistant Professor, IISER Pune, First floor, Central Tower, Sai Trinity Building Garware Circle, Sutarwadi, Pashan Pune, Maharashtra 411021, India Phone: +91 (20) 2590 8203 Fax: +91 (20) 2589 9790 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110408/bc8a6080/attachment.htm
